SCHEMBL699799

SCHEMBL699799

O=C(O)c1cc2c(Cl)cccc2s1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.71
HDAC4 P56524 2/20 0.71
HDAC1 Q13547 2/20 0.71
HDAC7 Q8WUI4 2/20 0.71
HDAC2 Q92769 2/20 0.71
HDAC10 Q969S8 2/20 0.71
HDAC11 Q96DB2 2/20 0.71
HDAC8 Q9BY41 2/20 0.71
HDAC6 Q9UBN7 2/20 0.71
HDAC9 Q9UKV0 2/20 0.71
HDAC5 Q9UQL6 2/20 0.71
SLC9A1 P19634 5/20 0.63
BCL2L1 Q07817 1/20 0.53
DAO P14920 2/20 0.48
MCL1 Q07820 2/20 0.47
MAPK1 P28482 1/20 0.47
ALOX5 P09917 1/20 0.47
PLK4 O00444 2/20 0.45
AURKA O14965 2/20 0.45
DAPK3 O43293 2/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29485573 1.00 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL17267450 0.86 HDAC3 (0.71) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6329351 0.84 HDAC3 (0.69) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5555882 0.84 SLC9A1 (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL828439 0.83 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
Potassium Ion SCHEMBL14660890 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL14660918 0.83 HDAC3 (0.67) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL15697576 0.82 HDAC3 (0.49) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6329958 0.80 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6331883 0.80 HDAC3 (0.63) HDAC3HDAC4HDAC1HDAC7HDAC2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4511835-B2 2010-07-28 JP claimed
US-7273856-B2 Linear basic compounds having NK-2 antagonist activity and formulations thereof MENARINI RICERCHE S.P.A. (IT) 2007-09-25 US claimed
EP-1442050-B1 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI SAS (IT) 2006-09-13 EP claimed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US claimed
EP-1442050-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.p.A. (IT) 2004-08-04 EP claimed
WO-2003037916-A2 LINEAR BASIC COMPOUNDS HAVING NK-2 ANTAGONIST ACTIVITY AND FORMULATIONS THEREOF MALESCI ISTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2003-05-08 WO claimed
EP-4494698-A2 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF Takeda Pharmaceutical Company Limited (JP) 2025-01-22 EP disclosed
EP-3661922-B1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2024-10-23 EP disclosed
US-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-06-20 US disclosed
US-11905285-B2 Inhibitors of plasma kallikrein and uses thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-02-20 US disclosed
CN-116003434-A Macrocyclic compound and medical application thereof 中国药科大学 2023-04-25 CN disclosed
US-20220289727-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-09-15 US disclosed
EP-4017850-A1 ENZYME INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-29 EP disclosed
US-6900216-B2 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2005-05-31 US disclosed
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof MALESCI INSTITUTO FARMACOBIOLOGICO S.P.A. (IT) 2004-12-23 US disclosed
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents KNOLL GMBH (DE) 2003-09-04 US disclosed
EP-1064276-B1 PROCESS FOR SYNTHESIZING SUBSTITUTED 2-BENZO b] THIOPHENE CARBOXYLIC ACIDS AND SALTS THEREOF UNIROYAL CHEM CO INC (US) 2003-02-26 EP disclosed
EP-1268489-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS Knoll GmbH (DE) 2003-01-02 EP disclosed
WO-2001068653-A1 DIHYDROIMIDAZO[2,1-B]THIAZOLE AND DIHYDRO-5H-THIAZOLO[3,2-A]PYRIMIDINES AS ANTIDEPRESSANT AGENTS KNOLL GMBH (DE) 2001-09-20 WO disclosed
US-5965749-A Process for synthesizing substituted 2-benzo [b]thiophenecarboxylic acids and salts thereof UNIROYAL CHEMICAL COMPANY, INC. (US) 1999-10-12 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20240199602-A1 INHIBITORS OF PLASMA KALLIKREIN AND USES THEREOF KLKB1, KLK1, KLK5 HDAC3 3430/4885HDAC4 2529/4885HDAC1 1974/4885
US-20220289727-A1 ENZYME INHIBITORS SERPINB1, ACE, GAA HDAC3 306/4885HDAC4 737/4885HDAC1 78/4885
US-20040259930-A1 Linear basic compounds having nk-2 antagonist activity and formulations thereof BDKRB2, BDKRB1, TACR2 HDAC3 2627/4885HDAC4 1767/4885HDAC1 867/4885
US-20030166628-A1 Dihydroimidazo[2,1-b]thiazole and dihydro-5h-thiazolo[3,2-A]pyrimidines as antidepressant agents GPR119, HTR3B, HTR2B HDAC3 1924/4885HDAC4 1852/4885HDAC1 1492/4885
US-11905285-B2 Inhibitors of plasma kallikrein and uses thereof KLKB1, KLK1, KLK5 HDAC3 3430/4885HDAC4 2529/4885HDAC1 1974/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.